Chem
J-GLOBAL ID：201707008391708057   Nikkaji number：J3.605.624J

4-[(3aR)-6,6,9,9-Tetramethyl-2,3,3aα,6,7,8,9,10b-octahydro-1H-cyclopenta[b]naphtho[2,3-d]furan-10bα-yl]benzoic acid

4-[(3aR)-6,6,9,9-テトラメチル-2,3,3aα,6,7,8,9,10b-オクタヒドロ-1H-シクロペンタ[b]ナフト[2,3-d]フラン-10bα-イル]安息香酸
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C26H30O3
Molecular formula furigana： C26-H30-O3
Molecular weight： 390.523
InChI： InChI=1S/C26H30O3/c1-24(2)12-13-25(3,4)19-15-21-20(14-18(19)24)26(11-5-6-22(26)29-21)17-9-7-16(8-10-17)23(27)28/h7-10,14-15,22H,5-6,11-13H2,1-4H3,(H,27,28)/t22-,26+/m1/s1
InChI key： PLLRIXHLFVZTMU-GJZUVCINSA-N
SMILES： CC1(C)CCC(C)(C)c2cc3c(O[C@@H]4CCC[C@]34c3ccc(cc3)C(=O)O)cc12
Systematic name  (3)：
  • 4-[(3aR)-6,6,9,9-テトラメチル-2,3,3aα,6,7,8,9,10b-オクタヒドロ-1H-シクロペンタ[b]ナフト[2,3-d]フラン-10bα-イル]安息香酸
  • 4-[(11S,15R)-4,4,7,7-テトラメチル-16-オキサテトラシクロ[8.6.0.03,8.011,15]ヘキサデカ-1(10),2,8-トリエン-11-イル]安息香酸
  • 4-[(11S,15R)-4,4,7,7-tetramethyl-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,8-trien-11-yl]benzoic acid
Other name (1)：
  • 4-[(3aR)-6,6,9,9-Tetramethyl-2,3,3aα,6,7,8,9,10b-octahydro-1H-cyclopenta[b]naphtho[2,3-d]furan-10bα-yl]benzoic acid
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